orbital_charges     :real:2:4,11
  0.126852276957656E+001  0.942791901664849E+000  0.102726251990321E+001
  0.988554839387869E+000  0.124030336996420E+001  0.102367689423732E+001
  0.770036962901558E+000  0.103041462373737E+001  0.141444935024289E+001
  0.117993378212297E+001  0.120101534572361E+001  0.118129157209546E+001
  0.759585188811517E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.758558403101701E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.759651703723172E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.881586966585300E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.884757976369851E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.877126493242468E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.905693869309277E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.904785467298839E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,11
 -0.698676262517054E-002 -0.871288290086999E-002 -0.465979595316269E-002
  0.100036431546893E-001  0.116437481675772E-001 -0.148443902175647E-001
  0.330151544114071E-003  0.464122504577945E-002  0.174180835281001E-001
  0.545678828331225E-002 -0.558957560386150E-003 -0.741302604177152E-003
 -0.268872905026060E-002 -0.453534021587750E-002  0.113058818379165E-002
 -0.303573771864826E-002  0.426878664926603E-002 -0.114670391028448E-002
 -0.485477090053139E-002  0.648617297613198E-003  0.105249652911907E-002
  0.248369188692085E-002 -0.415392477068013E-002  0.306981265216449E-002
 -0.359968100866883E-003 -0.108435169193154E-002 -0.143945812934375E-002
 -0.631175999443734E-005 -0.797155530186401E-003  0.217145788196885E-003
 -0.341994713564393E-003 -0.135976449030416E-002 -0.564758668394547E-004
mermin_energy       :real:0:
 -0.859711820767727E+001
end_coords          :real:2:3,11
  0.150074479108984E+001  0.234371376007512E+001  0.347955246277037E+001
  0.801243819157463E-001 -0.119052737280472E-002  0.257059426226391E+001
  0.379645951105506E-001 -0.829589708986147E-001 -0.295383069274771E+000
  0.184911577708436E+001 -0.837904503335895E-001 -0.101344115041499E+001
 -0.874754160113184E+000 -0.166467852059906E+001 -0.973870288214148E+000
 -0.868423578051444E+000  0.148523014072360E+001 -0.101432932162962E+001
 -0.188056081753432E+001 -0.296875952805749E-001  0.323715731021535E+001
  0.100835778750571E+001 -0.174433047101766E+001  0.319378809877747E+001
  0.156112153642493E+001  0.236036224603450E+001  0.555042758461447E+001
  0.344706807302670E+001  0.235970084193850E+001  0.276858085408732E+001
  0.562647015839489E+000  0.408479390239243E+001  0.285174769484468E+001
